methyl 4-[1-fluorobutyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate

C15H29FO4Si — CID 87553963

IUPACmethyl 4-[1-fluorobutyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate
SMILESCCCC(F)[Si](C)(C)OC(C=O)CC(C(=O)OC)C(C)C
InChIInChI=1S/C15H29FO4Si/c1-7-8-14(16)21(5,6)20-12(10-17)9-13(11(2)3)15(18)19-4/h10-14H,7-9H2,1-6H3
InChIKeyQAECMWJWJQGNHK-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.29
Rot. Bonds10

About methyl 4-[1-fluorobutyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate

methyl 4-[1-fluorobutyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate (PubChem CID 87553963) has the molecular formula C15H29FO4Si and a molecular weight of 320.48 g/mol. Its IUPAC name is methyl 4-[1-fluorobutyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate.

Molecular Properties

Compound Namemethyl 4-[1-fluorobutyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate
PubChem CID87553963
Molecular FormulaC15H29FO4Si
Molecular Weight320.48 g/mol
Exact Mass320.18
IUPAC Namemethyl 4-[1-fluorobutyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate
SMILESCCCC(F)[Si](C)(C)OC(C=O)CC(C(=O)OC)C(C)C
InChIInChI=1S/C15H29FO4Si/c1-7-8-14(16)21(5,6)20-12(10-17)9-13(11(2)3)15(18)19-4/h10-14H,7-9H2,1-6H3
InChIKeyQAECMWJWJQGNHK-UHFFFAOYSA-N
XLogP3.29
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate
CID 58100761
Methyl 4-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate
CID 76655841
methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate
CID 87182773
Methyl 2-[2-[ethyl(dimethoxy)silyl]ethyl]-3-methyl-5-oxopentanoate
CID 174418115
Methyl 2-[2-[dimethoxy(methyl)silyl]ethyl]-3-ethyl-5-oxopentanoate
CID 174418116
Methyl 2-[2-[diethoxy(ethyl)silyl]ethyl]-3-methyl-5-oxopentanoate
CID 174420020
Methyl 3-ethyl-2-[2-[ethyl(dimethoxy)silyl]ethyl]-5-oxopentanoate
CID 174434070
Methyl 2-[2-[diethoxy(methyl)silyl]ethyl]-3-ethyl-5-oxopentanoate
CID 174434071
Methyl 2-[2-[diethoxy(methyl)silyl]ethyl]-3-methyl-5-oxopentanoate
CID 174448886
Methyl 2-[2-[dimethoxy(methyl)silyl]ethyl]-3-methyl-5-oxopentanoate
CID 175235861

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-fluorobutyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate?
The IUPAC name of methyl 4-[1-fluorobutyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate (CID 87553963) is methyl 4-[1-fluorobutyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate.
What is the SMILES notation for methyl 4-[1-fluorobutyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate?
The canonical SMILES for methyl 4-[1-fluorobutyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate is CCCC(F)[Si](C)(C)OC(C=O)CC(C(=O)OC)C(C)C.
What is the InChIKey of methyl 4-[1-fluorobutyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate?
The InChIKey is QAECMWJWJQGNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FO4Si/c1-7-8-14(16)21(5,6)20-12(10-17)9-13(11(2)3)15(18)19-4/h10-14H,7-9H2,1-6H3.
What are the key properties of methyl 4-[1-fluorobutyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate?
methyl 4-[1-fluorobutyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate has a molecular weight of 320.48 g/mol, XLogP of 3.29, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-fluorobutyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate is sourced from PubChem (CID 87553963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).